(2S)-2-[ethoxy(difluoro)methyl]pyrrolidine-1-sulfinyl fluoride

C7H12F3NO2S — CID 132541094

IUPAC(2S)-2-[ethoxy(difluoro)methyl]pyrrolidine-1-sulfinyl fluoride
SMILESCCOC(F)(F)[C@@H]1CCCN1S(=O)F
InChIInChI=1S/C7H12F3NO2S/c1-2-13-7(8,9)6-4-3-5-11(6)14(10)12/h6H,2-5H2,1H3/t6-,14?/m0/s1
InChIKeyMGVBZDQWXQXDOT-TZKMECQKSA-N
MW231.24 g/mol
LogP1.63
Rot. Bonds4

About (2S)-2-[ethoxy(difluoro)methyl]pyrrolidine-1-sulfinyl fluoride

(2S)-2-[ethoxy(difluoro)methyl]pyrrolidine-1-sulfinyl fluoride (PubChem CID 132541094) has the molecular formula C7H12F3NO2S and a molecular weight of 231.24 g/mol. Its IUPAC name is (2S)-2-[ethoxy(difluoro)methyl]pyrrolidine-1-sulfinyl fluoride.

Molecular Properties

Compound Name(2S)-2-[ethoxy(difluoro)methyl]pyrrolidine-1-sulfinyl fluoride
PubChem CID132541094
Molecular FormulaC7H12F3NO2S
Molecular Weight231.24 g/mol
Exact Mass231.05
IUPAC Name(2S)-2-[ethoxy(difluoro)methyl]pyrrolidine-1-sulfinyl fluoride
SMILESCCOC(F)(F)[C@@H]1CCCN1S(=O)F
InChIInChI=1S/C7H12F3NO2S/c1-2-13-7(8,9)6-4-3-5-11(6)14(10)12/h6H,2-5H2,1H3/t6-,14?/m0/s1
InChIKeyMGVBZDQWXQXDOT-TZKMECQKSA-N
XLogP1.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[ethoxy(difluoro)methyl]pyrrolidine-1-sulfinyl fluoride?
The IUPAC name of (2S)-2-[ethoxy(difluoro)methyl]pyrrolidine-1-sulfinyl fluoride (CID 132541094) is (2S)-2-[ethoxy(difluoro)methyl]pyrrolidine-1-sulfinyl fluoride.
What is the SMILES notation for (2S)-2-[ethoxy(difluoro)methyl]pyrrolidine-1-sulfinyl fluoride?
The canonical SMILES for (2S)-2-[ethoxy(difluoro)methyl]pyrrolidine-1-sulfinyl fluoride is CCOC(F)(F)[C@@H]1CCCN1S(=O)F.
What is the InChIKey of (2S)-2-[ethoxy(difluoro)methyl]pyrrolidine-1-sulfinyl fluoride?
The InChIKey is MGVBZDQWXQXDOT-TZKMECQKSA-N. The full InChI is InChI=1S/C7H12F3NO2S/c1-2-13-7(8,9)6-4-3-5-11(6)14(10)12/h6H,2-5H2,1H3/t6-,14?/m0/s1.
What are the key properties of (2S)-2-[ethoxy(difluoro)methyl]pyrrolidine-1-sulfinyl fluoride?
(2S)-2-[ethoxy(difluoro)methyl]pyrrolidine-1-sulfinyl fluoride has a molecular weight of 231.24 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[ethoxy(difluoro)methyl]pyrrolidine-1-sulfinyl fluoride is sourced from PubChem (CID 132541094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).